4-[[2-(2-fluorophenyl)-2-pyrrolidin-1-ylethyl]carbamoylamino]-3-methylbenzamide

C21H25FN4O2 — CID 74232799

IUPAC4-[[2-(2-fluorophenyl)-2-pyrrolidin-1-ylethyl]carbamoylamino]-3-methylbenzamide
SMILESCc1cc(C(N)=O)ccc1NC(=O)NCC(c1ccccc1F)N1CCCC1
InChIInChI=1S/C21H25FN4O2/c1-14-12-15(20(23)27)8-9-18(14)25-21(28)24-13-19(26-10-4-5-11-26)16-6-2-3-7-17(16)22/h2-3,6-9,12,19H,4-5,10-11,13H2,1H3,(H2,23,27)(H2,24,25,28)
InChIKeyXKBLFZUPGGQNJP-UHFFFAOYSA-N
MW384.46 g/mol
LogP3.19
Rot. Bonds6

About 4-[[2-(2-fluorophenyl)-2-pyrrolidin-1-ylethyl]carbamoylamino]-3-methylbenzamide

4-[[2-(2-fluorophenyl)-2-pyrrolidin-1-ylethyl]carbamoylamino]-3-methylbenzamide (PubChem CID 74232799) has the molecular formula C21H25FN4O2 and a molecular weight of 384.46 g/mol. Its IUPAC name is 4-[[2-(2-fluorophenyl)-2-pyrrolidin-1-ylethyl]carbamoylamino]-3-methylbenzamide.

Molecular Properties

Compound Name4-[[2-(2-fluorophenyl)-2-pyrrolidin-1-ylethyl]carbamoylamino]-3-methylbenzamide
PubChem CID74232799
Molecular FormulaC21H25FN4O2
Molecular Weight384.46 g/mol
Exact Mass384.20
IUPAC Name4-[[2-(2-fluorophenyl)-2-pyrrolidin-1-ylethyl]carbamoylamino]-3-methylbenzamide
SMILESCc1cc(C(N)=O)ccc1NC(=O)NCC(c1ccccc1F)N1CCCC1
InChIInChI=1S/C21H25FN4O2/c1-14-12-15(20(23)27)8-9-18(14)25-21(28)24-13-19(26-10-4-5-11-26)16-6-2-3-7-17(16)22/h2-3,6-9,12,19H,4-5,10-11,13H2,1H3,(H2,23,27)(H2,24,25,28)
InChIKeyXKBLFZUPGGQNJP-UHFFFAOYSA-N
XLogP3.19
TPSA87.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.46
LogP ≤ 53.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,5-dimethylphenyl)-N-[(2S)-2-(2-fluorophenyl)-2-pyrrolidin-1-ylethyl]acetamide
CID 125164934
3-fluoro-N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-4-methylbenzamide
CID 43044899
N-[(2S)-2-(2-fluorophenyl)-2-pyrrolidin-1-ylethyl]-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide
CID 95148410
1-(2-methoxyphenyl)-3-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]urea
CID 17497858
4,4,4-trifluoro-N-[(2R)-2-(2-fluorophenyl)-2-pyrrolidin-1-ylethyl]butanamide
CID 125170249
2-ethyl-N-[2-(2-fluorophenyl)-2-pyrrolidin-1-ylethyl]pyrimidine-5-carboxamide
CID 72935954
ethyl 3-(2-fluorophenyl)-3-pyrrolidin-1-ylpropanoate
CID 64539874
1-(2-fluorophenyl)-3-[(2S)-2-(furan-2-yl)-2-piperidin-1-ylethyl]urea
CID 41013932
N-[2-(2-fluorophenyl)-2-pyrrolidin-1-ylethyl]-5-methyl-1H-imidazole-2-carboxamide
CID 91829882
7-fluoro-N-[2-(2-fluorophenyl)-2-pyrrolidin-1-ylethyl]-2-methylquinoline-4-carboxamide
CID 131908439
N-(4-carbamoyl-2-methylphenyl)azocane-1-carboxamide
CID 74244825
1-[(3-fluoro-4-methylphenyl)methyl]-3-(2-phenyl-2-pyrrolidin-1-ylethyl)urea
CID 43063545

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(2-fluorophenyl)-2-pyrrolidin-1-ylethyl]carbamoylamino]-3-methylbenzamide?
The IUPAC name of 4-[[2-(2-fluorophenyl)-2-pyrrolidin-1-ylethyl]carbamoylamino]-3-methylbenzamide (CID 74232799) is 4-[[2-(2-fluorophenyl)-2-pyrrolidin-1-ylethyl]carbamoylamino]-3-methylbenzamide.
What is the SMILES notation for 4-[[2-(2-fluorophenyl)-2-pyrrolidin-1-ylethyl]carbamoylamino]-3-methylbenzamide?
The canonical SMILES for 4-[[2-(2-fluorophenyl)-2-pyrrolidin-1-ylethyl]carbamoylamino]-3-methylbenzamide is Cc1cc(C(N)=O)ccc1NC(=O)NCC(c1ccccc1F)N1CCCC1.
What is the InChIKey of 4-[[2-(2-fluorophenyl)-2-pyrrolidin-1-ylethyl]carbamoylamino]-3-methylbenzamide?
The InChIKey is XKBLFZUPGGQNJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25FN4O2/c1-14-12-15(20(23)27)8-9-18(14)25-21(28)24-13-19(26-10-4-5-11-26)16-6-2-3-7-17(16)22/h2-3,6-9,12,19H,4-5,10-11,13H2,1H3,(H2,23,27)(H2,24,25,28).
What are the key properties of 4-[[2-(2-fluorophenyl)-2-pyrrolidin-1-ylethyl]carbamoylamino]-3-methylbenzamide?
4-[[2-(2-fluorophenyl)-2-pyrrolidin-1-ylethyl]carbamoylamino]-3-methylbenzamide has a molecular weight of 384.46 g/mol, XLogP of 3.19, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(2-fluorophenyl)-2-pyrrolidin-1-ylethyl]carbamoylamino]-3-methylbenzamide is sourced from PubChem (CID 74232799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).